4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidine-2-carboxylic acid

C14H12N4O2 — CID 116894060

IUPAC4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidine-2-carboxylic acid
SMILESCc1cc(-c2ccc3c(c2)ncn3C)nc(C(=O)O)n1
InChIInChI=1S/C14H12N4O2/c1-8-5-10(17-13(16-8)14(19)20)9-3-4-12-11(6-9)15-7-18(12)2/h3-7H,1-2H3,(H,19,20)
InChIKeyROIFWLYORXHYRS-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.04
Rot. Bonds2

About 4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidine-2-carboxylic acid

4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidine-2-carboxylic acid (PubChem CID 116894060) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidine-2-carboxylic acid
PubChem CID116894060
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidine-2-carboxylic acid
SMILESCc1cc(-c2ccc3c(c2)ncn3C)nc(C(=O)O)n1
InChIInChI=1S/C14H12N4O2/c1-8-5-10(17-13(16-8)14(19)20)9-3-4-12-11(6-9)15-7-18(12)2/h3-7H,1-2H3,(H,19,20)
InChIKeyROIFWLYORXHYRS-UHFFFAOYSA-N
XLogP2.04
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-bromo-6-methylpyrimidin-4-yl)-1-methylbenzimidazole
CID 116897305
2-[4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidin-2-yl]acetonitrile
CID 116895055
1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone
CID 116867483
4-methyl-6-phenylpyrimidine-2-carboxylic acid
CID 12846711
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
4-ethyl-3-(1-methylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 95993414
2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole
CID 116970087
[2-(1-methylbenzimidazol-5-yl)imidazo[1,2-a]pyridin-6-yl]methanol
CID 95967179
4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid
CID 116894066
5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole
CID 177401759
5-iodo-1-methyl-2-[1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazol-5-yl]benzimidazole
CID 177490277
2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid
CID 82396347

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidine-2-carboxylic acid?
The IUPAC name of 4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidine-2-carboxylic acid (CID 116894060) is 4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidine-2-carboxylic acid is Cc1cc(-c2ccc3c(c2)ncn3C)nc(C(=O)O)n1.
What is the InChIKey of 4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidine-2-carboxylic acid?
The InChIKey is ROIFWLYORXHYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-8-5-10(17-13(16-8)14(19)20)9-3-4-12-11(6-9)15-7-18(12)2/h3-7H,1-2H3,(H,19,20).
What are the key properties of 4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidine-2-carboxylic acid?
4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidine-2-carboxylic acid has a molecular weight of 268.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 116894060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).